SCHEMBL319574

SCHEMBL319574

COC(=O)c1cc(OC)cc2c1CC(c1ccc(OC)cc1)C1CCCC21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
PLA2G2A P14555 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10109175 1.00 KDM4E (0.40) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10109235 0.98 KDM4E (0.40) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL318636 0.98 KDM4E (0.40) KDM4ECYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL319593 0.88 SMN1; SMN2 (0.39) KDM4EMEN1KMT2ACA1CA2
SCHEMBL10109246 0.88 SMN1; SMN2 (0.39) KDM4EMEN1KMT2ACA1CA2
SCHEMBL10109252 0.87 KDM1A (0.36) HPGDMEN1KMT2AMTNR1AMTNR1B
SCHEMBL318328 0.87 PARP10 (0.38) HPGDMEN1KMT2ACA1CA2
SCHEMBL10109283 0.87 PARP10 (0.38) HPGDMEN1KMT2ACA1CA2
SCHEMBL318446 0.87 KDM1A (0.36) HPGDMEN1KMT2AMTNR1AMTNR1B
SCHEMBL318484 0.83 ESR2 (0.44) KDM4EHPGDCA1CA2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093302-B2 Substituted tetralins as selective estrogen receptor-β agonists ELI LILLY AND COMPANY (US) 2012-01-10 US disclosed
US-20100249075-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2010-09-30 US disclosed
EP-1853578-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2007-11-14 EP disclosed
WO-2006088716-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ELI LILLY AND COMPANY (US) 2006-08-24 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100249075-A1 SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS ESR2, ERLIN1, ESRRG KDM4E 2531/4885CYP1A2 890/4885CYP2D6 3197/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.